{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.46769 5.101335 4.874283 4.709318 4.579675 4.472864 4.382034 4.30302 4.233098 4.170391 4.113547 4.061563 4.013674 3.969281 3.927907 3.88917 3.852751 3.818391 3.785867 3.754995 3.725613 3.697586 3.670793 3.64513 3.619186 3.592451 3.564874 3.536401 3.506973 3.476522 3.444974 3.412249 3.378254 3.342887 3.306033 3.267561 3.227323 3.185148 3.14084 3.094173 3.04488 2.99265 2.937108 2.877807 2.814201 2.745615 2.671203 2.589883 2.500238 2.40037 2.28764 2.158242 2.006374 1.82256 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.467690000000001e-10 5.101335e-10 4.874283e-10 4.709318e-10 4.579675e-10 4.4728640000000006e-10 4.382034e-10 4.30302e-10 4.233098e-10 4.1703910000000006e-10 4.113547e-10 4.061563e-10 4.0136740000000003e-10 3.969281e-10 3.927907e-10 3.88917e-10 3.8527510000000003e-10 3.818391e-10 3.785867e-10 3.7549950000000004e-10 3.725613e-10 3.697586e-10 3.670793e-10 3.64513e-10 3.619186e-10 3.592451e-10 3.564874e-10 3.536401e-10 3.506973e-10 3.476522e-10 3.4449740000000005e-10 3.412249e-10 3.3782540000000004e-10 3.3428870000000004e-10 3.3060330000000004e-10 3.267561e-10 3.2273230000000004e-10 3.185148e-10 3.14084e-10 3.094173e-10 3.0448800000000003e-10 2.99265e-10 2.937108e-10 2.877807e-10 2.8142010000000003e-10 2.745615e-10 2.6712030000000005e-10 2.589883e-10 2.500238e-10 2.40037e-10 2.2876400000000003e-10 2.158242e-10 2.0063740000000002e-10 1.82256e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0.625312 1.98977 3.27129 4.26091 4.9579 5.41188 5.67514 5.82332 5.94955 6.05921 6.15413 6.23582 6.30555 6.36441 6.41332 6.45308 6.4844 6.5079 6.52411 6.53352 6.53657 6.53332 6.52286 6.50403 6.47541 6.43537 6.38195 6.31283 6.22521 6.11573 5.98032 5.81402 5.61074 5.36295 5.06122 4.69372 4.24542 3.69693 3.02308 1.01581 -5.555 -12.8699 -19.9189 -27.2208 -35.0063 -43.2896 -57.6486 -79.9232 -109.329 -153.532 -242.573 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.0018602753598079e-19 3.1879630010341797e-19 5.2411844010378595e-19 6.82673044157694e-19 7.9434315337086e-19 8.67078768201192e-19 9.092576702678759e-19 9.329987236304879e-19 9.5322299928147e-19 9.70792468249914e-19 9.860003288598419e-19 9.99088509782988e-19 1.01026048745187e-18 1.019690899119594e-18 1.0275271450364878e-18 1.033897399333272e-18 1.03891541655096e-18 1.04268053164086e-18 1.045277659964574e-18 1.046785308177168e-18 1.047273972050538e-18 1.046753264644488e-18 1.045077387885324e-18 1.042060489283502e-18 1.0374750597569939e-18 1.0310599445144578e-18 1.02250111693563e-18 1.0114268720414219e-18 9.97388600374314e-19 9.79847970585282e-19 9.581528967842879e-19 9.31508699360868e-19 8.98939652744916e-19 8.592393179310299e-19 8.108968423533479e-19 7.520168510538479e-19 6.801912725516279e-19 5.92313486353362e-19 4.84350813871272e-19 1.62750704658354e-19 -8.900091201869998e-19 -2.06198530619166e-18 -3.19135961549826e-18 -4.3612529718787195e-18 -5.60862759027942e-18 -6.9357585615206396e-18 -9.23632399028124e-18 -1.2805108355450877e-17 -1.7516436921858596e-17 -2.45985382971288e-17 -3.88644792639282e-17 ] } }